SCHEMBL4051299

SCHEMBL4051299

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2c(F)cccc12)C(=O)NCCO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.47
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CNR2 P34972 2/20 0.37
PTGER4 P35408 1/20 0.35
HTR3A P46098 4/20 0.35
SSTR4 P31391 2/20 0.34
HTR4 Q13639 2/20 0.34
USP30 Q70CQ3 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
MMP1 P03956 2/20 0.33
MMP13 P45452 1/20 0.33
ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13690828 1.00 CNR1 (0.47) CNR1ADORA2AADORA1CNR2PTGER4
SCHEMBL13690978 0.95 CNR1 (0.46) CNR1ADORA2AADORA1CNR2PTGER4
SCHEMBL13690591 0.92 CNR1 (0.39) CNR1CNR2HTR3AHTR4
SCHEMBL4057564 0.92 CNR1 (0.39) CNR1CNR2HTR3AHTR4
SCHEMBL13690636 0.91 CNR1 (0.47) CNR1ADORA2AADORA1PTGER4MMP1
SCHEMBL4052469 0.91 CNR1 (0.40) CNR1CNR2HTR3ASSTR4
SCHEMBL13691090 0.91 CNR1 (0.38) CNR1CNR2HTR3ASSTR4
SCHEMBL13691262 0.91 CNR1 (0.40) CNR1CNR2HTR3ASSTR4
SCHEMBL13691004 0.91 CNR1 (0.47) CNR1ADORA2AADORA1CNR2PTGER4
SCHEMBL4049851 0.91 CNR1 (0.47) CNR1ADORA2AADORA1CNR2PTGER4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed